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Cadmium (Cd) triggers molecular alterations in plants, perturbs metabolites and damages plant growth. Therefore, understanding the molecular mechanism underlying the Cd tolerance in plants is necessary for assessing the persistent environmental impact of Cd. In this study, Solanum nigrum was selected as the test plant to investigate changes in biomass, Cd translocation, cell ultrastructure, metabolites and genes under hydroponic conditions. The results showed that the plant biomass was significantly decreased under Cd stress, and the plant has a stronger Cd transport capability. Transmission electron microscopy revealed that increased Cd concentration gradually damaged the plant organs (roots, stems and leaves) cell ultrastructure, as evidenced by swollen chloroplasts and deformed cell walls. Additionally, metabolomics analyses revealed that Cd stress mainly affected seven metabolism pathways, including 19 differentially expressed metabolites (DEMs). Moreover, 3908 common differentially expressed genes (DEGs, 1049 upregulated and 2859 downregulated) were identified via RNA-seq among five Cd treatments. Meanwhile, conjoint analysis found several DEGs and DEMs, including laccase, peroxidase, D-fructose, and cellobiose etc., are associated with cell wall biosynthesis, implying the cell wall biosynthesis pathway plays a critical role in Cd detoxification. Our comprehensive investigation using multiple approaches provides a molecular-scale perspective on plant response to Cd stress., (Copyright © 2021 Elsevier B.V. All rights reserved.)